Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000424875 | Gold | 3 |
| CCMSLIB00000424876 | Gold | 3 |
| CCMSLIB00000424877 | Gold | 3 |
| CCMSLIB00000424878 | Gold | 3 |
| CCMSLIB00010128613 | Gold | 3 |
COMPOUND NPA028862
PROPERTIES
| NPAID | NPA028862 |
|---|---|
| CLUSTER ID | 7432 |
| NODE ID | 5083 |
| NAME | Tolytoxin |
| FORMULA | C46H75NO13 |
| MOLECULAR WEIGHT (Da) | 850.1000 |
| ACCURATE MASS (Da) | 849.5238 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | mirabilis BY-8-1 |
| InChIKey | FTGOWEQDZZMPNJ-GUMZKTDUSA-N |
| InChI | InChI=1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,37-,38+,39+,40-,41-,43-,44+,45-,46-/m0/s1 |
| SMILES | CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@@H](O)/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Carmeli S; Moore RE; Patterson GM Tolytoxin and new scytophycins from three species of Scytonema. Journal of Natural Products 1990 53 (6) 1533-1542. | ||
|---|---|---|---|
| DOI | 10.1021/np50072a021 | PMID | 2128517 |
